SCHEMBL30301802

SCHEMBL30301802

Nc1cc(-c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)cnc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.67
ERBB2 P04626 2/20 0.67
CD38 P28907 1/20 0.62
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
NPC1 O15118 1/20 0.61
PRNP P04156 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HTT P42858 1/20 0.61
KMT2A Q03164 1/20 0.61
MAP4K4 O95819 2/20 0.59
FADS1 O60427 1/20 0.58
LCK P06239 1/20 0.57
RAF1 P04049 1/20 0.54
BRAF P15056 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17845975 1.00 EGFR (0.67) EGFRERBB2CD38KDM4EMEN1
SCHEMBL29793189 0.89 EGFR (0.73) EGFRERBB2CD38KDM4EMEN1
SCHEMBL17858692 0.89 EGFR (0.73) EGFRERBB2CD38KDM4EMEN1
SCHEMBL17845933 0.87 EGFR (0.61) EGFRERBB2CD38KDM4EMEN1
SCHEMBL30301804 0.86 EGFR (0.69) EGFRERBB2CD38KDM4EMEN1
SCHEMBL17845934 0.86 EGFR (0.69) EGFRERBB2CD38KDM4EMEN1
SCHEMBL17845917 0.85 EGFR (0.69) EGFRERBB2CD38RAF1BRAF
SCHEMBL29667032 0.85 EGFR (0.69) EGFRERBB2CD38RAF1BRAF
SCHEMBL4738831 0.84 EGFR (0.70) EGFRERBB2CD38KDM4EMEN1
SCHEMBL4787908 0.84 EGFR (0.82) EGFRERBB2CD38KDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11607414-B2 Small molecule inhibitors of EGFR and PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-03-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11607414-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885CD38 4006/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.